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4-Chloro-N-(4-aminobenzyl)-1,8-naphthalimide ID: ALA3110167
Chembl Id: CHEMBL3110167
PubChem CID: 76335748
Max Phase: Preclinical
Molecular Formula: C19H13ClN2O2
Molecular Weight: 336.78
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Nc1ccc(CN2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)cc1
Standard InChI: InChI=1S/C19H13ClN2O2/c20-16-9-8-15-17-13(16)2-1-3-14(17)18(23)22(19(15)24)10-11-4-6-12(21)7-5-11/h1-9H,10,21H2
Standard InChI Key: QWKVHCPYFCKAQQ-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 336.78Molecular Weight (Monoisotopic): 336.0666AlogP: 3.87#Rotatable Bonds: 2Polar Surface Area: 63.40Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 4.13CX LogP: 3.41CX LogD: 3.41Aromatic Rings: 3Heavy Atoms: 24QED Weighted: 0.57Np Likeness Score: -0.94
References 1. MacGregor KA, Robertson MJ, Young KA, von Kleist L, Stahlschmidt W, Whiting A, Chau N, Robinson PJ, Haucke V, McCluskey A.. (2014) Development of 1,8-naphthalimides as clathrin inhibitors., 57 (1): [PMID:24299503 ] [10.1021/jm4015263 ]